CID 4457188

160436-48-6

Structural Information

Molecular Formula
C17H13F3N2O3
SMILES
CCOC(=O)C1=C(C2=C(O1)N=C(C=C2C(F)(F)F)C3=CC=CC=C3)N
InChI
InChI=1S/C17H13F3N2O3/c1-2-24-16(23)14-13(21)12-10(17(18,19)20)8-11(22-15(12)25-14)9-6-4-3-5-7-9/h3-8H,2,21H2,1H3
InChIKey
OUXBESBCKBNZFK-UHFFFAOYSA-N
Compound name
ethyl 3-amino-6-phenyl-4-(trifluoromethyl)furo[2,3-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.08783 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.09511 178.1
[M+Na]+ 373.07705 189.0
[M-H]- 349.08055 182.1
[M+NH4]+ 368.12165 191.2
[M+K]+ 389.05099 185.0
[M+H-H2O]+ 333.08509 167.8
[M+HCOO]- 395.08603 196.5
[M+CH3COO]- 409.10168 213.5
[M+Na-2H]- 371.06250 181.1
[M]+ 350.08728 179.3
[M]- 350.08838 179.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.